Information card for entry 4345247

Structure parameters

• Formula: C35 H25 Cl2 F3 N2 O6 P Re S
• Calculated formula: C35 H25 Cl2 F3 N2 O6 P Re S
• SMILES: [Re]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([n]2c3c(ccc4ccc[n]1c34)ccc2)(C#[O])(C#[O])C#[O].ClCCl.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Luminescent Re(I) Carbonyl Complexes as Trackable PhotoCORMs for CO delivery to Cellular Targets
• Authors of publication: Chakraborty, Indranil; Jimenez, Jorge; Sameera, W. M. C.; Kato, Masako; Mascharak, Pradip K.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2017
• a: 14.8378 ± 0.0005 Å
• b: 15.0784 ± 0.0006 Å
• c: 16.9677 ± 0.0006 Å
• α: 90°
• β: 111.02°
• γ: 90°
• Cell volume: 3543.6 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No